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CHEMBRIDGE-ZINC02033731

 MMsINC code: MMs00700777
Type: Neutral
Formula: C12H19O5P
SMILES:   P(OCC)(OCC)(=O)C(O)c1ccc(OC)cc1
InChI:   InChI=1/C12H19O5P/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10/h6-9,12-13H,4-5H2,1-3H3/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.9962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.253 g/mol  logS: -1.76227  SlogP: 1.9775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839856  Sterimol/B1: 2.18  Sterimol/B2: 3.21059  Sterimol/B3: 3.82163
  Sterimol/B4: 7.91342  Sterimol/L: 15.7983 
 
 Surface and Volume Properties
  Accessible surface: 518.119  Positive charged surface: 361.831  Negative charged surface: 156.288  Volume: 255.875
  Hydrophobic surface: 392.787  Hydrophilic surface: 125.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.